SMILES:
CC(=O)OC1CSC(Oc2ccc(-c3ccc(C)nc3)nc2)C(OC(C)=O)C1OC(C)=OMolecular Processing
Molecular formula
C22H24N2O7S
Molecular weight
460.51
Exact mass
460.1304
XLogP
2.7
TPSA
113.91
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
115.74
Supplementary Information
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